Improved semiconductor lattice parameters and band gaps from a middle-range screened hybrid exchange functional

Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional

(2011) Veronica Barone et al.   ACCOUNTS OF CHEMICAL RESEARCH

Communication: A new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue–Burke–Ernzerhof)

(2011) Jong-Won Song et al.   JOURNAL OF CHEMICAL PHYSICS

Improved hybrid functional for solids: The HSEsol functional

(2011) Laurids Schimka et al.   JOURNAL OF CHEMICAL PHYSICS

Erratum: Modeling of the cubic and antiferrodistortive phases of SrTiO3with screened hybrid density functional theory [Phys. Rev. B84, 115122 (2011)]

(2011) Fedwa El-Mellouhi et al.   PHYSICAL REVIEW B

Modeling of the cubic and antiferrodistortive phases of SrTiO3with screened hybrid density functional theory

(2011) Fedwa El-Mellouhi et al.   PHYSICAL REVIEW B

A systematic study of ideal and double layer reconstructions of ABO3(001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles

(2010) N Iles et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Determination of the band-gap of MgS and MgS-rich Zn1−xMgxSySe1−y alloys from optical transmission measurements

(2010) Ian A. Davidson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Band structures of delafossite transparent conductive oxides from a self-consistentGWapproach

(2010) Fabio Trani et al.   PHYSICAL REVIEW B

Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Can short-range hybrids describe long-range-dependent properties?

(2009) Thomas M. Henderson et al.   JOURNAL OF CHEMICAL PHYSICS

Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems

(2009) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate solid-state band gaps via screened hybrid electronic structure calculations

(2008) Edward N. Brothers et al.   JOURNAL OF CHEMICAL PHYSICS

Assessment of a Middle-Range Hybrid Functional

(2008) Thomas M. Henderson et al.   Journal of Chemical Theory and Computation

Range Separation and Local Hybridization in Density Functional Theory†

(2008) Thomas M. Henderson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Screened hybrid density functionals for solid-state chemistry and physics

(2008) Benjamin G. Janesko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS